Information card for entry 7015507

Structure parameters

• Formula: C36 H42 Cl2 N6 O4 Pt
• Calculated formula: C36 H42 Cl2 N6 O4 Pt
• SMILES: C1(=[N]([Pt](Cl)([N]2[C@@H](c3ccc(cc3)OC)N(OC=2N(C)C)Cc2ccccc2)Cl)[C@H](c2ccc(cc2)OC)N(O1)Cc1ccccc1)N(C)C
• Title of publication: Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.
• Authors of publication: Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4175 - 4182
• a: 8.4287 ± 0.0007 Å
• b: 11.1631 ± 0.0008 Å
• c: 19.8266 ± 0.0014 Å
• α: 90°
• β: 97.669 ± 0.004°
• γ: 90°
• Cell volume: 1848.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No